(R)-(3,4-diethoxyphenyl)-[5-(2-morpholin-4-ylethyl)-1H-1,2,4-triazol-3-yl]methanamine

C19H29N5O3 — CID 97288321

IUPAC(R)-(3,4-diethoxyphenyl)-[5-(2-morpholin-4-ylethyl)-1H-1,2,4-triazol-3-yl]methanamine
SMILESCCOc1ccc([C@@H](N)c2n[nH]c(CCN3CCOCC3)n2)cc1OCC
InChIInChI=1S/C19H29N5O3/c1-3-26-15-6-5-14(13-16(15)27-4-2)18(20)19-21-17(22-23-19)7-8-24-9-11-25-12-10-24/h5-6,13,18H,3-4,7-12,20H2,1-2H3,(H,21,22,23)/t18-/m1/s1
InChIKeyIHPVMWUXBWPZIK-GOSISDBHSA-N
MW375.47 g/mol
LogP1.52
Rot. Bonds9

About (R)-(3,4-diethoxyphenyl)-[5-(2-morpholin-4-ylethyl)-1H-1,2,4-triazol-3-yl]methanamine

(R)-(3,4-diethoxyphenyl)-[5-(2-morpholin-4-ylethyl)-1H-1,2,4-triazol-3-yl]methanamine (PubChem CID 97288321) has the molecular formula C19H29N5O3 and a molecular weight of 375.47 g/mol. Its IUPAC name is (R)-(3,4-diethoxyphenyl)-[5-(2-morpholin-4-ylethyl)-1H-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name(R)-(3,4-diethoxyphenyl)-[5-(2-morpholin-4-ylethyl)-1H-1,2,4-triazol-3-yl]methanamine
PubChem CID97288321
Molecular FormulaC19H29N5O3
Molecular Weight375.47 g/mol
Exact Mass375.23
IUPAC Name(R)-(3,4-diethoxyphenyl)-[5-(2-morpholin-4-ylethyl)-1H-1,2,4-triazol-3-yl]methanamine
SMILESCCOc1ccc([C@@H](N)c2n[nH]c(CCN3CCOCC3)n2)cc1OCC
InChIInChI=1S/C19H29N5O3/c1-3-26-15-6-5-14(13-16(15)27-4-2)18(20)19-21-17(22-23-19)7-8-24-9-11-25-12-10-24/h5-6,13,18H,3-4,7-12,20H2,1-2H3,(H,21,22,23)/t18-/m1/s1
InChIKeyIHPVMWUXBWPZIK-GOSISDBHSA-N
XLogP1.52
TPSA98.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (R)-(3,4-diethoxyphenyl)-[5-(2-morpholin-4-ylethyl)-1H-1,2,4-triazol-3-yl]methanamine with MolForge

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Related Compounds

(S)-(4-methoxyphenyl)-[5-(2-morpholin-4-ylethyl)-1H-1,2,4-triazol-3-yl]methanamine
CID 97287488
(R)-(4-chlorophenyl)-[5-(2-morpholin-4-ylethyl)-1H-1,2,4-triazol-3-yl]methanamine
CID 97287765
(S)-(3-ethoxy-4-methoxyphenyl)-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]methanamine
CID 97288230
(R)-[5-[(4-tert-butylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]-(3,4-diethoxyphenyl)methanamine
CID 97288373
(S)-(3-ethoxy-4-methoxyphenyl)-[5-[(4-methoxyphenoxy)methyl]-1H-1,2,4-triazol-3-yl]methanamine
CID 97288170
(R)-(3,4-dimethoxyphenyl)-[5-[(4-methoxyphenoxy)methyl]-1H-1,2,4-triazol-3-yl]methanamine
CID 97287616
(R)-(4-ethoxy-3-methoxyphenyl)-(1-methyl-1,2,4-triazol-3-yl)methanamine
CID 97288117
4-[2-(5-chloro-2-ethoxyphenyl)ethyl]morpholine;methanamine
CID 177027735
(R)-(3,4-diethoxyphenyl)-(1H-1,2,4-triazol-5-yl)methanamine
CID 97052988
(S)-(3-tert-butyl-1H-1,2,4-triazol-5-yl)-(3,4-diethoxyphenyl)methanamine
CID 97288354
3-[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]propan-1-amine
CID 170867775
(S)-(1,5-dimethyl-1,2,4-triazol-3-yl)-(3-ethoxy-4-methoxyphenyl)methanamine
CID 97288258

Frequently Asked Questions

What is the IUPAC name of (R)-(3,4-diethoxyphenyl)-[5-(2-morpholin-4-ylethyl)-1H-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of (R)-(3,4-diethoxyphenyl)-[5-(2-morpholin-4-ylethyl)-1H-1,2,4-triazol-3-yl]methanamine (CID 97288321) is (R)-(3,4-diethoxyphenyl)-[5-(2-morpholin-4-ylethyl)-1H-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for (R)-(3,4-diethoxyphenyl)-[5-(2-morpholin-4-ylethyl)-1H-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for (R)-(3,4-diethoxyphenyl)-[5-(2-morpholin-4-ylethyl)-1H-1,2,4-triazol-3-yl]methanamine is CCOc1ccc([C@@H](N)c2n[nH]c(CCN3CCOCC3)n2)cc1OCC.
What is the InChIKey of (R)-(3,4-diethoxyphenyl)-[5-(2-morpholin-4-ylethyl)-1H-1,2,4-triazol-3-yl]methanamine?
The InChIKey is IHPVMWUXBWPZIK-GOSISDBHSA-N. The full InChI is InChI=1S/C19H29N5O3/c1-3-26-15-6-5-14(13-16(15)27-4-2)18(20)19-21-17(22-23-19)7-8-24-9-11-25-12-10-24/h5-6,13,18H,3-4,7-12,20H2,1-2H3,(H,21,22,23)/t18-/m1/s1.
What are the key properties of (R)-(3,4-diethoxyphenyl)-[5-(2-morpholin-4-ylethyl)-1H-1,2,4-triazol-3-yl]methanamine?
(R)-(3,4-diethoxyphenyl)-[5-(2-morpholin-4-ylethyl)-1H-1,2,4-triazol-3-yl]methanamine has a molecular weight of 375.47 g/mol, XLogP of 1.52, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(3,4-diethoxyphenyl)-[5-(2-morpholin-4-ylethyl)-1H-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 97288321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).